5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

C23H15ClF3N3O2 — CID 68578374

IUPAC5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C23H15ClF3N3O2/c24-15-9-10-20(31)18(11-15)22(32)28-16-7-4-8-17(12-16)30-19(14-5-2-1-3-6-14)13-21(29-30)23(25,26)27/h1-13,31H,(H,28,32)
InChIKeyYKTNALKDWGXMSQ-UHFFFAOYSA-N
MW457.84 g/mol
LogP6.17
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (PubChem CID 68578374) has the molecular formula C23H15ClF3N3O2 and a molecular weight of 457.84 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
PubChem CID68578374
Molecular FormulaC23H15ClF3N3O2
Molecular Weight457.84 g/mol
Exact Mass457.08
IUPAC Name5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C23H15ClF3N3O2/c24-15-9-10-20(31)18(11-15)22(32)28-16-7-4-8-17(12-16)30-19(14-5-2-1-3-6-14)13-21(29-30)23(25,26)27/h1-13,31H,(H,28,32)
InChIKeyYKTNALKDWGXMSQ-UHFFFAOYSA-N
XLogP6.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (CID 68578374) is 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is O=C(Nc1cccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The InChIKey is YKTNALKDWGXMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-15-9-10-20(31)18(11-15)22(32)28-16-7-4-8-17(12-16)30-19(14-5-2-1-3-6-14)13-21(29-30)23(25,26)27/h1-13,31H,(H,28,32).
What are the key properties of 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide has a molecular weight of 457.84 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[3-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 68578374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).